Glycoside
...
GD140016

Name:
None

Formula:
C18H32O18N4

Smiles:
O=C(CC[NH+]([O-])O)OCC1OC(O)C(OC(=O)CC[NH+]([O-])O)C(OC(=O)CC[NH+]([O-])O)C1OC(=O)CC[NH+]([O-])O

Aglycone:
COC(=O)CC[NH+]([O-])O.O=C(O)CC[NH+]([O-])O.O=C(O)CC[NH+]([O-])O.O=C(O)CC[NH+]([O-])O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 1
HBD: 9 FractionCSP3: 0.78
AlogP: -8.37 Num_rotatable_bonds: 17
MolWt: 592.46 Num_heavy_atoms: 40
TPSA: 325.58 NumAromaticRings: 0

Unique Aglycone
AD45879
Formula: C3H7O4N

Smiles:
O=C(O)CC[NH+]([O-])O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.67
AlogP: -1.77 Num_rotatable_bonds: 3
MolWt: 121.09 Num_heavy_atoms: 8
TPSA: 85.03 NumAromaticRings: 0
AD47957
Formula: C4H9O4N

Smiles:
COC(=O)CC[NH+]([O-])O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: -1.68 Num_rotatable_bonds: 3
MolWt: 135.12 Num_heavy_atoms: 9
TPSA: 74.03 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O